============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 9 0.840 56.980 14.773 31.206 -99.200 -91.000 TYR 16 0.840 55.216 17.689 41.611 -99.200 -91.000 HIS 43 0.900 69.762 7.525 35.079 -99.200 -91.000 PHE 50 1.000 65.564 6.039 44.412 -99.200 -91.000 TYR 62 0.840 74.130 11.666 43.448 -99.200 -91.000 TYR 79 0.840 78.550 9.754 43.368 -99.200 -91.000 PHE 82 1.000 75.043 9.340 48.448 -99.200 -91.000 TYR 84 0.840 81.798 16.468 54.010 -99.200 -91.000 TYR 89 0.840 84.779 12.164 55.398 -99.200 -91.000 TYR 93 0.840 90.916 15.749 46.959 -99.200 -91.000 TYR 105 0.840 78.617 23.819 38.747 -99.200 -91.000 PHE 112 1.000 88.481 25.366 42.521 -99.200 -91.000 TYR 130 0.840 91.858 21.710 46.723 -99.200 -91.000 PHE 131 1.000 88.349 26.017 53.123 -99.200 -91.000 TYR 152 0.840 92.106 31.922 67.189 -99.200 -91.000 TYR 157 0.840 96.775 35.069 67.126 -99.200 -91.000 TYR 163 0.840 91.513 35.434 54.161 -99.200 -91.000 TYR 164 0.840 84.984 36.863 62.749 -99.200 -91.000 PHE 167 1.000 81.408 35.057 59.480 -99.200 -91.000 PHE 188 1.000 94.069 41.608 65.509 -99.200 -91.000 TYR 197 0.840 81.173 39.525 66.905 -99.200 -91.000 TYR 205 0.840 74.008 30.247 68.464 -99.200 -91.000 TYR 211 0.840 77.147 31.692 77.683 -99.200 -91.000 PHE 214 1.000 81.537 35.505 76.291 -99.200 -91.000